HRID311722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID45786526

2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C17H20BNO2

结构：C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(I)cnn12

HCID77231218

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

HCID86664788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14def385ced94236808756f6dc1eab60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:30][c:31]1[n:32][c:33]2[n:34]([c:35]([N:37]([CH2:38][O:39][CH2:40][CH2:41][Si:42]([CH3:43])([CH3:44])[CH3:45])[CH2:46][O:47][CH2:48][CH2:49][Si:50]([CH3:51])([CH3:52])[CH3:53])[cH:36]1)[n:54][cH:55][c:56]2[I:57].[K+:27].[K+:28].[K+:29].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[OH2:64].[P:22]([O-:23])([O-:24])([O-:25])=[O:26].[c:1]1(-[c:7]2[n:8][cH:9][c:10]([B:13]3[O:14][C:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21]3)[cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][cH:9][c:10](-[c:56]3[c:33]4[n:32][c:31]([Cl:30])[cH:36][c:35]([N:37]([CH2:38][O:39][CH2:40][CH2:41][Si:42]([CH3:43])([CH3:44])[CH3:45])[CH2:46][O:47][CH2:48][CH2:49][Si:50]([CH3:51])([CH3:52])[CH3:53])[n:34]4[n:54][cH:55]3)[cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1